Geometry & MOs

Info

ID:	82696
PubChem CID:	49856361
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	328.133554
ΔH_f, kcal/mol:	-40.17
Dipole, Da:	9.0
IP(EA), eV:	-9.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-6-[(4-fluorophenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC2[C@H]3[C@@H]2CN(C3)C4=NC=C(C=N4)C(=O)O

DOS

IR

Vibrations